SCHEMBL13323601

SCHEMBL13323601

CC(C)OC[C@@H]1C[C@H]1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.37
▸ GAA P10253 1/20 0.34
▸ FFAR4 Q5NUL3 11/20 0.34
▸ GABRR1 P24046 4/20 0.32
▸ GABRR2 P28476 1/20 0.32
▸ EPHX2 P34913 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26951569 0.82 FFAR4 (0.35) FFAR4EPHX2
SCHEMBL13323636 0.82 GABRR1 (0.47) FFAR4GABRR1GABRR2
SCHEMBL29343805 0.82 FFAR4 (0.35) FFAR4EPHX2
SCHEMBL13323586 0.82 GABRR1 (0.47) FFAR4GABRR1GABRR2
SCHEMBL13323626 0.79 CYP1A2 (0.38) FFAR4
SCHEMBL27502940 0.78 — —
SCHEMBL13355407 0.78 — —
SCHEMBL13323612 0.77 CA1 (0.43) —
SCHEMBL13323639 0.77 CA1 (0.43) —
SCHEMBL28741185 0.75 HRH3 (0.33) FFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 — — US disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS REN, ACE, AGTR1 EPHX1 449/4885GAA 165/4885FFAR4 1183/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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